tributyl-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]stannane

C22H46Sn — CID 71403532

IUPACtributyl-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]stannane
SMILESCCCC[Sn](CCCC)(CCCC)[C@@H]1C[C@H](C)CC[C@H]1C(C)C
InChIInChI=1S/C10H19.3C4H9.Sn/c1-8(2)10-6-4-9(3)5-7-10;3*1-3-4-2;/h6,8-10H,4-5,7H2,1-3H3;3*1,3-4H2,2H3;/t9-,10-;;;;/m0..../s1
InChIKeyKSZYEUNDJPZWEW-IJBXMQGASA-N
MW429.32 g/mol
LogP8.30
Rot. Bonds11

About tributyl-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]stannane

tributyl-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]stannane (PubChem CID 71403532) has the molecular formula C22H46Sn and a molecular weight of 429.32 g/mol. Its IUPAC name is tributyl-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]stannane.

Molecular Properties

Compound Nametributyl-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]stannane
PubChem CID71403532
Molecular FormulaC22H46Sn
Molecular Weight429.32 g/mol
Exact Mass430.26
IUPAC Nametributyl-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]stannane
SMILESCCCC[Sn](CCCC)(CCCC)[C@@H]1C[C@H](C)CC[C@H]1C(C)C
InChIInChI=1S/C10H19.3C4H9.Sn/c1-8(2)10-6-4-9(3)5-7-10;3*1-3-4-2;/h6,8-10H,4-5,7H2,1-3H3;3*1,3-4H2,2H3;/t9-,10-;;;;/m0..../s1
InChIKeyKSZYEUNDJPZWEW-IJBXMQGASA-N
XLogP8.30
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.32
LogP ≤ 58.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze tributyl-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]stannane with MolForge

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Related Compounds

dimethyl-bis[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]stannane
CID 177420575
2-butan-2-yl-4-methyl-1-propan-2-ylcyclohexane
CID 173263952
trans-(1S,4R)-2-butan-2-yl-4-methyl-1-propan-2-ylcyclohexane
CID 142957322
2,4-dimethyl-1-propan-2-ylcyclohexane;propane
CID 143365202
(1S,2S,4S)-2-ethyl-4-methyl-1-propan-2-ylcyclohexane
CID 166124501
(2S)-4-methyl-1,2-di(propan-2-yl)cyclohexane
CID 169042978
2-(1-chloropentyl)-4-methyl-1-propan-2-ylcyclohexane
CID 174606217
2-[1,1-bis(5-methyl-2-propan-2-ylcyclohexyl)pentyl]-4-methyl-1-propan-2-ylcyclohexane
CID 19033807
N-heptyl-5-methyl-2-propan-2-ylcyclohexan-1-amine
CID 43223218
(1S,2R,4R)-2-ethoxy-4-methyl-1-propan-2-ylcyclohexane
CID 11086237
N-heptan-3-yl-5-methyl-2-propan-2-ylcyclohexan-1-amine
CID 63944923
(1R,2R,4S)-2-fluoro-4-methyl-1-propan-2-ylcyclohexane
CID 135011931

Frequently Asked Questions

What is the IUPAC name of tributyl-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]stannane?
The IUPAC name of tributyl-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]stannane (CID 71403532) is tributyl-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]stannane.
What is the SMILES notation for tributyl-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]stannane?
The canonical SMILES for tributyl-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]stannane is CCCC[Sn](CCCC)(CCCC)[C@@H]1C[C@H](C)CC[C@H]1C(C)C.
What is the InChIKey of tributyl-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]stannane?
The InChIKey is KSZYEUNDJPZWEW-IJBXMQGASA-N. The full InChI is InChI=1S/C10H19.3C4H9.Sn/c1-8(2)10-6-4-9(3)5-7-10;3*1-3-4-2;/h6,8-10H,4-5,7H2,1-3H3;3*1,3-4H2,2H3;/t9-,10-;;;;/m0..../s1.
What are the key properties of tributyl-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]stannane?
tributyl-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]stannane has a molecular weight of 429.32 g/mol, XLogP of 8.30, 11 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tributyl-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]stannane is sourced from PubChem (CID 71403532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).